N-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide

C7H12N4OS — CID 86181120

IUPACN-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1NC(C)C
InChIInChI=1S/C7H12N4OS/c1-4(2)9-7-5(6(12)8-3)10-11-13-7/h4,9H,1-3H3,(H,8,12)
InChIKeyUYUACRHJKSJWDJ-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.72
Rot. Bonds3

About N-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide

N-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide (PubChem CID 86181120) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is N-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide
PubChem CID86181120
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC NameN-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1NC(C)C
InChIInChI=1S/C7H12N4OS/c1-4(2)9-7-5(6(12)8-3)10-11-13-7/h4,9H,1-3H3,(H,8,12)
InChIKeyUYUACRHJKSJWDJ-UHFFFAOYSA-N
XLogP0.72
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide?
The IUPAC name of N-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide (CID 86181120) is N-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide?
The canonical SMILES for N-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide is CNC(=O)c1nnsc1NC(C)C.
What is the InChIKey of N-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide?
The InChIKey is UYUACRHJKSJWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-4(2)9-7-5(6(12)8-3)10-11-13-7/h4,9H,1-3H3,(H,8,12).
What are the key properties of N-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide?
N-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide has a molecular weight of 200.27 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide is sourced from PubChem (CID 86181120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).